5-[3-(2-chlorophenyl)phenyl]-2,5-dimethyl-1,2,4-oxadiazol-3-amine

C16H16ClN3O — CID 59262504

IUPAC5-[3-(2-chlorophenyl)phenyl]-2,5-dimethyl-1,2,4-oxadiazol-3-amine
SMILESCN1OC(C)(c2cccc(-c3ccccc3Cl)c2)N=C1N
InChIInChI=1S/C16H16ClN3O/c1-16(19-15(18)20(2)21-16)12-7-5-6-11(10-12)13-8-3-4-9-14(13)17/h3-10H,1-2H3,(H2,18,19)
InChIKeyFSFZRVJGZKIINA-UHFFFAOYSA-N
MW301.78 g/mol
LogP3.37
Rot. Bonds2

About 5-[3-(2-chlorophenyl)phenyl]-2,5-dimethyl-1,2,4-oxadiazol-3-amine

5-[3-(2-chlorophenyl)phenyl]-2,5-dimethyl-1,2,4-oxadiazol-3-amine (PubChem CID 59262504) has the molecular formula C16H16ClN3O and a molecular weight of 301.78 g/mol. Its IUPAC name is 5-[3-(2-chlorophenyl)phenyl]-2,5-dimethyl-1,2,4-oxadiazol-3-amine.

Molecular Properties

Compound Name5-[3-(2-chlorophenyl)phenyl]-2,5-dimethyl-1,2,4-oxadiazol-3-amine
PubChem CID59262504
Molecular FormulaC16H16ClN3O
Molecular Weight301.78 g/mol
Exact Mass301.10
IUPAC Name5-[3-(2-chlorophenyl)phenyl]-2,5-dimethyl-1,2,4-oxadiazol-3-amine
SMILESCN1OC(C)(c2cccc(-c3ccccc3Cl)c2)N=C1N
InChIInChI=1S/C16H16ClN3O/c1-16(19-15(18)20(2)21-16)12-7-5-6-11(10-12)13-8-3-4-9-14(13)17/h3-10H,1-2H3,(H2,18,19)
InChIKeyFSFZRVJGZKIINA-UHFFFAOYSA-N
XLogP3.37
TPSA50.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.78
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[3-(2-chlorophenyl)phenyl]-2,5-dimethyl-1,2,4-oxadiazol-3-amine?
The IUPAC name of 5-[3-(2-chlorophenyl)phenyl]-2,5-dimethyl-1,2,4-oxadiazol-3-amine (CID 59262504) is 5-[3-(2-chlorophenyl)phenyl]-2,5-dimethyl-1,2,4-oxadiazol-3-amine.
What is the SMILES notation for 5-[3-(2-chlorophenyl)phenyl]-2,5-dimethyl-1,2,4-oxadiazol-3-amine?
The canonical SMILES for 5-[3-(2-chlorophenyl)phenyl]-2,5-dimethyl-1,2,4-oxadiazol-3-amine is CN1OC(C)(c2cccc(-c3ccccc3Cl)c2)N=C1N.
What is the InChIKey of 5-[3-(2-chlorophenyl)phenyl]-2,5-dimethyl-1,2,4-oxadiazol-3-amine?
The InChIKey is FSFZRVJGZKIINA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClN3O/c1-16(19-15(18)20(2)21-16)12-7-5-6-11(10-12)13-8-3-4-9-14(13)17/h3-10H,1-2H3,(H2,18,19).
What are the key properties of 5-[3-(2-chlorophenyl)phenyl]-2,5-dimethyl-1,2,4-oxadiazol-3-amine?
5-[3-(2-chlorophenyl)phenyl]-2,5-dimethyl-1,2,4-oxadiazol-3-amine has a molecular weight of 301.78 g/mol, XLogP of 3.37, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(2-chlorophenyl)phenyl]-2,5-dimethyl-1,2,4-oxadiazol-3-amine is sourced from PubChem (CID 59262504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).